Cas no 195457-73-9 ([1,1'-Biphenyl]-4-carboxylicacid, 3'-chloro-4'-fluoro-)

[1,1'-Biphenyl]-4-carboxylicacid, 3'-chloro-4'-fluoro- structure
195457-73-9 structure
Product Name:[1,1'-Biphenyl]-4-carboxylicacid, 3'-chloro-4'-fluoro-
CAS No:195457-73-9
MF:C13H8ClFO2
MW:250.652826309204
MDL:MFCD11931994
CID:116791
PubChem ID:10634464
Update Time:2025-04-18

[1,1'-Biphenyl]-4-carboxylicacid, 3'-chloro-4'-fluoro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carboxylicacid, 3'-chloro-4'-fluoro-
    • 4-(2-CYANO-3-FLUOROPHENYL)BENZOIC ACID
    • 4-(3-chloro-4-fluorophenyl)benzoic acid
    • 4-(2-Cyano-4-fluorophenyl)benzoic acid
    • 4-(2-Cyano-5-fluorophenyl)benzoic acid
    • 4-(2-Fluoro-3-nitrophenyl)benzoic acid
    • 4-(2-Fluoro-4-nitrophenyl)benzoic acid
    • 4-(3-Cyano-2-fluorophenyl)benzoic acid
    • 4-(3-Cyano-4-fluorophenyl)benzoic acid
    • 4-(4-Cyano-3-fluorophenyl)benzoic acid
    • 4-(4-Cyano-2-fluorophenyl)benzoic acid
    • 4-(3-Cyano-5-fluorophenyl)benzoic acid
    • SCHEMBL3643412
    • AM803453
    • 3''-Chloro-4''-fluoro-biphenyl-4-carboxylic acid
    • BDBM50060968
    • CHEMBL106976
    • 3'-Chloro-4'-fluoro-[1,1'-biphenyl]-4-carboxylic acid
    • 3'-Chloro-4'-fluoro-[1,1'-biphenyl]-4-carboxylicacid
    • 195457-73-9
    • MFCD11931994
    • AKOS017565792
    • DTXSID20442827
    • MDL： MFCD11931994
    • Inchi： 1S/C13H8ClFO2/c14-11-7-10(5-6-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
    • InChI Key： WAWQPHGUJGYFMZ-UHFFFAOYSA-N
    • SMILES： ClC1=C(C=CC(=C1)C1C=CC(C(=O)O)=CC=1)F

Computed Properties

  • Exact Mass: 241.05400
  • Monoisotopic Mass: 250.0196853g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 277
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 61.09000
  • LogP: 3.06258

[1,1'-Biphenyl]-4-carboxylicacid, 3'-chloro-4'-fluoro- Pricemore >>

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